SCHEMBL11248826

SCHEMBL11248826

CC(C)n1c(=O)[nH]c2ncc(-c3ccncc3)cc21

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.49
PDE3A Q14432 2/20 0.49
GRIN1 Q05586 14/20 0.48
GRIN2B Q13224 14/20 0.48
METAP2 P50579 1/20 0.46
PGR P06401 2/20 0.45
MTOR P42345 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11238693 0.82 PDE3B (0.59) PDE3BPDE3AGRIN1GRIN2B
SCHEMBL11236623 0.78 GRIN1 (0.55) GRIN1GRIN2B
SCHEMBL11227373 0.76 GRIN1 (0.57) GRIN1GRIN2B
SCHEMBL17807828 0.76 MAOB (0.44) GRIN1GRIN2BPGRMTOR
SCHEMBL19836475 0.76 AURKA (0.42) GRIN1GRIN2BPGRMTOR
SCHEMBL2507320 0.75 ACVR1 (0.45) GRIN1GRIN2BPGR
SCHEMBL11230943 0.74 GRIN1 (0.55) GRIN1GRIN2B
SCHEMBL11237110 0.74 GRIN1 (0.57) GRIN1GRIN2B
SCHEMBL11233554 0.74 GRIN1 (0.53) GRIN1GRIN2B
SCHEMBL11244626 0.73 PDE3B (0.49) PDE3BPDE3AGRIN1GRIN2B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4309537-A Production of imidazo[4,5-b]pyridin-2-ones or thiones STERLING DRUG INC. (US) 1982-01-05 US disclosed
US-4297360-A 5-(Pyridinyl)pyridine-2,3-diamines, preparation thereof and their cardiotonic use STERLING DRUG INC. (US) 1981-10-27 US disclosed
US-4294837-A 1,3-Dihydro-6-(pyridinyl)-2H-imidazo[4,5-b]pyridin-2-ones and -imidazo[4,5-b]pyridine-2-thiones and their cardiotonic use STERLING DRUG INC. (US) 1981-10-13 US disclosed